# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'ScRh6P4'
_chemical_formula_sum 'P4 Rh6 Sc'

loop_
_publ_author_name
 'U. Pfannenschmidt'
 'U. C. Rodewald'
 'R. P{ö}ttgen'
_journal_name_full_name
;
 Monatshefte f{\"u}r Chemie - Chemical Monthly
;
_journal_volume 142
_journal_year 2011
_journal_page_first 219
_journal_page_last 224
_publ_Section_title
;
 Bismuth flux crystal growth of $RE$Rh$_{6}$P$_{4}$ ($RE$ = Sc, Yb, Lu): new phosphides with a superstructure of the LiCo$_{6}$P$_{4}$ type
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'ScRh$_{6}$P$_{4}$ Structure'
_aflow_proto 'A4B6C_hP11_143_bd_2d_a'
_aflow_params 'a,c/a,z_{1},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '6.9672687469,0.526119402977,0.0004,-0.0007,0.8181,0.1915,0.4998,0.5475,0.48,0.0003,0.1859,0.799,0.5002'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP11'

_cell_length_a    6.9672687469
_cell_length_b    6.9672687469
_cell_length_c    3.6656152735
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 3"
_symmetry_Int_Tables_number 143
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc   1 a 0.00000 0.00000 0.00040  1.00000
P1  P    1 b 0.33333 0.66667 -0.00070 1.00000
P2  P    3 d 0.81810 0.19150 0.49980  1.00000
Rh1 Rh   3 d 0.54750 0.48000 0.00030  1.00000
Rh2 Rh   3 d 0.18590 0.79900 0.50020  1.00000
